1-Benzyl-3-nitro-1h-pyrrole
TL;DR: 1-Benzyl-3-nitro-1h-pyrrole (CAS 18159-11-0) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-nitropyrrole
Also Known As: 1-benzyl-3-nitro-1h-pyrrole, 1-benzyl-3-nitropyrrole, 1-benzyl-3-nitro-pyrrole, 1H-Pyrrole,3-nitro-1-(phenylmethyl)-
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 18159-11-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=CC(=C2)[N+](=O)[O-] |
| InChIKey | HZDRORMSKAGKHF-UHFFFAOYSA-N |
Product Overview
1-Benzyl-3-nitro-1h-pyrrole (CAS 18159-11-0), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 1-benzyl-3-nitropyrrole.
Chemical Property Profile of 1-Benzyl-3-nitro-1h-pyrrole
Property Insights of 1-Benzyl-3-nitro-1h-pyrrole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-nitro-1h-pyrrole. With a topological polar surface area (TPSA) of 50.8 Ų, 1-Benzyl-3-nitro-1h-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-nitro-1h-pyrrole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-3-nitro-1h-pyrrole?
The CAS number of 1-Benzyl-3-nitro-1h-pyrrole is 18159-11-0.
What is the molecular formula of 1-Benzyl-3-nitro-1h-pyrrole?
The molecular formula of 1-Benzyl-3-nitro-1h-pyrrole is C11H10N2O2.
What is the molecular weight of 1-Benzyl-3-nitro-1h-pyrrole?
The molecular weight of 1-Benzyl-3-nitro-1h-pyrrole is 202.07 g/mol.
Where can I buy 1-Benzyl-3-nitro-1h-pyrrole?
You can request a quote for 1-Benzyl-3-nitro-1h-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-nitro-1h-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-nitro-1h-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.